6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyrimidin-5-ylethynyl)-3H-quinazolin-2-one

Systemtic Name: 6-chloranyl-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyrimidin-5-ylethynyl)-3H-quinazolin-2-one Openeye Name: 6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyrimidin-5-ylethynyl)-3H-quinazolin-2-one CAS Name: 6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-[2-(5-pyrimidinyl)ethynyl]-3H-quinazolin-2-one IUPAC Name: 6-chloro-4-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(2-pyrimidin-5-ylethynyl)-3H-quinazolin-2-one Traditional Name: 6-chloro-4-cyclopropyl-1-p-anisyl-4-[2-(5-pyrimidyl)ethynyl]-3H-quinazolin-2-one Formula: C25H21ClN4O2 MolecularWeight: 444.91284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#CC4=CN=CN=C4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(NC2=O)(C#CC4=CN=CN=C4)C5CC5

InChI

InChI=1S/C25H21ClN4O2/c1-32-21-7-2-17(3-8-21)15-30-23-9-6-20(26)12-22(23)25(19-4-5-19,29-24(30)31)11-10-18-13-27-16-28-14-18/h2-3,6-9,12-14,16,19H,4-5,15H2,1H3,(H,29,31)